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HfO2, a simple binary oxide, holds ultra-scalable ferroelectricity integrable into silicon technology. Polar orthorhombic (Pbc21) form in ultra-thin-films ascribes as the plausible root-cause of the astonishing ferroelectricity, which has…

The persistence of ferroelectricity in ultrathin HfO$_2$ films challenges conventional theories, particularly given the paradoxical observation that the out-of-plane lattice spacing increases as the film thickness decreases, a reverse size…

Materials Science · Physics 2026-01-08 Tianyuan Zhu , Jingxuan Li , Zuhuang Chen , Shi Liu

We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained electric displacement field D. We find that in YMnO3 the…

Materials Science · Physics 2015-06-05 Massimiliano Stengel , Craig J. Fennie , Philippe Ghosez

In this work we analyze the finite-size effects on the structural properties and on the polarization of the rhombohedral phase of HfO$_2$ subjected to a biaxial compressive strain. We show how the presence of surface charges affects the…

Materials Science · Physics 2022-10-12 Francesco Delodovici , Paolo Barone , Silvia Picozzi

We measure the remnant polarization of ferroelectric domains in BiFeO3 films down to 3.6 nm using low energy electron and photoelectron emission microscopy. The measured polarization decays strongly below a critical thickness of 5-7 nm…

Materials Science · Physics 2013-01-04 J. E. Rault , W. Ren , S. Prosandeev , S. Lisenkov , D. Sando , S. Fusil , M. Bibes , A. Barthelemy , L. Bellaiche , N. Barrett

Ferroelectrics are essential in low-dimensional memory devices for multi-bit storage and high-density integration. A polar structure is a necessary premise for ferroelectricity, mainly existing in compounds. However, it is usually rare in…

Zirconia and hafnia based thin films have attracted tremendous attention in the last decade due to their unexpected ferroelectric behavior at the nanoscale, which facilitates the downscaling of ferroelectric devices. The present work…

In this Chapter we provide an overview of the current first-principles perspective on flexoelectric effects in crystalline solids. We base our theoretical formalism on the long-wave expansion of the electrical response of a crystal to an…

Materials Science · Physics 2015-07-29 Massimiliano Stengel , David Vanderbilt

Ferroelectric thin films present a powerful platform for next generation computing and memory applications. However, domain morphology and dynamics in buried ferroelectric stacks have remained underexplored, despite the importance for real…

Materials Science · Physics 2025-08-29 Megan O. Hill Landberg , Bixin Yan , Huaiyu Chen , Efe Ipek , Morgan Trassin , Jesper Wallentin

Nanosized hafnia-zirconia HfxZr1-xO2 in the form of thin films, multilayers and heterostructures are indispensable silicon-compatible ferroelectric materials for advanced electronic memories and logic devices. The distinctive feature of…

Materials Science · Physics 2026-05-05 Anna N. Morozovska , Eugene A. Eliseev , Sergei V. Kalinin , Maksym V. Strikha

Cubic perovskite-structure ABO$_3$ and A$_{1-x}$A$^{\prime}$$_x$BO$_3$-type oxides have been investigated extensively while their hexagonal-structure versions have received minimal attention, even though they are multiferroic and can form…

Materials Science · Physics 2024-01-29 M. J. Swamynadhan , Andrew O'Hara , Saurabh Ghosh , Sokrates T. Pantelides

We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…

Materials Science · Physics 2007-05-23 Claude Ederer , Nicola A. Spaldin

We predicted the ferroelectric-ferromagnetic multiferroic properties of EuTiO3 nanowires and generated the phase diagrams in coordinates of temperature and wire radii. The calculations were performed within the Landau-Ginzburg-Devonshire…

The paper investigates the influence of the magnetic field on the behavior of 180-degree domain boundaries in a uniaxial ferromagnetic film with inhomogeneous magnetoelectric interaction. It is shown that, depending on the magnitude and…

Materials Science · Physics 2023-05-24 Robert Vakhitov , Rostislav Solonetskiy , Alina Nizyamova

Piezo-magnetoelectric effect, namely simultaneous induction of both the ferromagnetic moment and electric polarization by an application of uniaxial stress, was achieved in the non-ferroelectric and antiferromagnetic ground state of…

Strongly Correlated Electrons · Physics 2015-11-11 Taro Nakajima , Yusuke Tokunaga , Yasujiro Taguchi , Yoshinori Tokura , Taka-hisa Arima

Trimerization-polarization domains in ferroelectric hexagonal YMnO$_3$ were resolved in all three spatial dimensions by piezoresponse force microscopy. Their topology is dominated by electrostatic effects with a range of 100 unit cells and…

Materials Science · Physics 2015-05-27 Tobias Jungk , Ákos Hoffmann , Manfred Fiebig , Elisabeth Soergel

Ferroelectric HfO2-based materials hold great potential for widespread integration of ferroelectricity into modern electronics due to their robust ferroelectric properties at the nanoscale and compatibility with the existing Si technology.…

In many cases the correct theoretical description of flexoelectricity requires the consideration of the finite size of a body and is reduced to the solution of boundary problems for partial differential equations. Generally speaking, in…

Materials Science · Physics 2015-01-20 A. S. Yurkov

Ferroelectric hafnia is being explored for next generation electronics due to its robust ferroelectricity in nanoscale samples and its compatibility with silicon. However, its ferroelectricity is not understood. Other ferroelectrics usually…

Materials Science · Physics 2022-04-15 Aldo Raeliarijaona , R. E. Cohen

The recent discovery of bone flexoelectricity (electrical polarization induced by strain gradient) suggests that flexoelectricity could have physiological effects in bones, and specifically near bone fractures, where flexoelectricity is…

Tissues and Organs · Quantitative Biology 2020-01-27 Raquel Núñez-Toldrà , Fabian Vasquez-Sancho , Nathalie Barroca , Gustau Catalan